2-[3-[1-(1-adamantyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

C43H40N5OPt-3 — CID 176782911

About 2-[3-[1-(1-adamantyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

2-[3-[1-(1-adamantyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 176782911) has the molecular formula C43H40N5OPt-3 and a molecular weight of 837.91 g/mol. Its IUPAC name is 2-[3-[1-(1-adamantyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[1-(1-adamantyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 176782911
• Molecular Formula: C43H40N5OPt-3
• Molecular Weight: 837.91 g/mol
• Exact Mass: 837.29
• IUPAC Name: 2-[3-[1-(1-adamantyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(C67CC8CC(CC(C8)C6)C7)c6ccncc65)ccc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C43H40N5O.Pt/c1-42(2,3)31-13-16-45-41(20-31)48-37-10-5-4-9-35(37)36-12-11-34(22-39(36)48)49-33-8-6-7-32(21-33)46-27-47(38-14-15-44-26-40(38)46)43-23-28-17-29(24-43)19-30(18-28)25-43;/h4-16,20,26-30H,17-19,23-25H2,1-3H3;/q-3
• InChIKey: VXRQOGGOQCNIPD-UHFFFAOYSA-N
• XLogP: 10.31
• TPSA: 46.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	837.91
LogP ≤ 5	10.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(1-adamantyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[1-(1-adamantyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 176782911) is 2-[3-[1-(1-adamantyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[1-(1-adamantyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[1-(1-adamantyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(C67CC8CC(CC(C8)C6)C7)c6ccncc65)ccc4)ccc3c3ccccc32)c1.[Pt].

What is the InChIKey of 2-[3-[1-(1-adamantyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The InChIKey is VXRQOGGOQCNIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H40N5O.Pt/c1-42(2,3)31-13-16-45-41(20-31)48-37-10-5-4-9-35(37)36-12-11-34(22-39(36)48)49-33-8-6-7-32(21-33)46-27-47(38-14-15-44-26-40(38)46)43-23-28-17-29(24-43)19-30(18-28)25-43;/h4-16,20,26-30H,17-19,23-25H2,1-3H3;/q-3;.

What are the key properties of 2-[3-[1-(1-adamantyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

2-[3-[1-(1-adamantyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 837.91 g/mol, XLogP of 10.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[1-(1-adamantyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176782911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).